3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride

C16H19ClN2O3 — CID 82253777

IUPAC3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(OC)c1OCc1ccc(OC)cc1
InChIInChI=1S/C16H18N2O3.ClH/c1-19-12-8-6-11(7-9-12)10-21-15-13(16(17)18)4-3-5-14(15)20-2;/h3-9H,10H2,1-2H3,(H3,17,18);1H
InChIKeyMXVMPVFUZISXAN-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.99
Rot. Bonds6

About 3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride

3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride (PubChem CID 82253777) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
PubChem CID82253777
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(OC)c1OCc1ccc(OC)cc1
InChIInChI=1S/C16H18N2O3.ClH/c1-19-12-8-6-11(7-9-12)10-21-15-13(16(17)18)4-3-5-14(15)20-2;/h3-9H,10H2,1-2H3,(H3,17,18);1H
InChIKeyMXVMPVFUZISXAN-UHFFFAOYSA-N
XLogP2.99
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 82240729
2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253513
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558
2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide
CID 82240842
3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253852
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 81300051
2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 24694243
2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide
CID 82253483
4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791185
2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide
CID 82253340
3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide
CID 82253851
2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide
CID 151769516

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride?
The IUPAC name of 3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride (CID 82253777) is 3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cccc(OC)c1OCc1ccc(OC)cc1.
What is the InChIKey of 3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride?
The InChIKey is MXVMPVFUZISXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3.ClH/c1-19-12-8-6-11(7-9-12)10-21-15-13(16(17)18)4-3-5-14(15)20-2;/h3-9H,10H2,1-2H3,(H3,17,18);1H.
What are the key properties of 3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride?
3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride has a molecular weight of 322.79 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82253777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).